7QWI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qwi by Molmil](/molmil-images/mine/7qwi) | Vanadate complex of the vanadium-dependent bromoperoxidase from Corallina pilulifera | 分子名称: | 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ... | 著者 | Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E. | 登録日 | 2022-01-25 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera To Be Published
|
|
6AX5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ax5 by Molmil](/molmil-images/mine/6ax5) | RPT1 region of INI1/SNF5/SMARCB1_HUMAN - SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1. | 分子名称: | SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 | 著者 | Girvin, M.E, Cahill, S.M, Harris, R, Cowburn, D, Spira, M, Wu, X, Prakash, R, Bernowitz, M, Almo, S.C, Kalpana, G.V. | 登録日 | 2017-09-06 | 公開日 | 2017-10-18 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | INI1/SMARCB1 Rpt1 domain mimics TAR RNA in binding to integrase to facilitate HIV-1 replication. Nat Commun, 12, 2021
|
|
7X5K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x5k by Molmil](/molmil-images/mine/7x5k) | Tir-dsDNA complex, the initial binding state | 分子名称: | DNA (43-MER), Flax rust resistance protein | 著者 | Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J. | 登録日 | 2022-03-04 | 公開日 | 2022-06-08 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death. Cell, 185, 2022
|
|
6BET
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bet by Molmil](/molmil-images/mine/6bet) | Solution structure of de novo macrocycle design12_ss | 分子名称: | H(DPR)(DVA)CIP(DPR)E(DLY)VC(DGL) | 著者 | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | 登録日 | 2017-10-25 | 公開日 | 2017-12-27 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
|
|
6B3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b3n by Molmil](/molmil-images/mine/6b3n) | Solution structure of the N-terminal domain of the effector NleG5-1 from Escherichia coli O157:H7 str. Sakai | 分子名称: | NleG5-1 | 著者 | Valleau, D, Houliston, S, Lemak, A, Anderson, W.F, Arrowsmith, C, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2017-09-22 | 公開日 | 2017-11-22 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the N-terminal domain of the effector NleG5-1 from Escherichia coli O157:H7 str. Sakai To Be Published
|
|
6BF5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bf5 by Molmil](/molmil-images/mine/6bf5) | Solution structure of de novo macrocycle design7.3a | 分子名称: | QDP(DPR)K(DTH)(DAS) | 著者 | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | 登録日 | 2017-10-25 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
|
|
6B9K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b9k by Molmil](/molmil-images/mine/6b9k) | |
6BEO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6beo by Molmil](/molmil-images/mine/6beo) | Solution structure of de novo macrocycle design9.1 | 分子名称: | (DPR)PY(DHI)PKDL(DGN) | 著者 | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | 登録日 | 2017-10-25 | 公開日 | 2017-12-27 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
|
|
6BER
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ber by Molmil](/molmil-images/mine/6ber) | Solution structure of de novo macrocycle design10.2 | 分子名称: | E(DVA)DP(DGL)(DHI)(DPR)N(DAL)(DPR) | 著者 | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | 登録日 | 2017-10-25 | 公開日 | 2017-12-27 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
|
|
6BEQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6beq by Molmil](/molmil-images/mine/6beq) | Solution structure of de novo macrocycle design10.1 | 分子名称: | AAR(DVA)(DPR)R(DLE)(DTH)PE | 著者 | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | 登録日 | 2017-10-25 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
|
|
6BEU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6beu by Molmil](/molmil-images/mine/6beu) | Solution structure of de novo macrocycle design14_ss | 分子名称: | (DCY)N(DVA)(DPR)DVYC(DPR)(DSG)KY(DVA)(DPR) | 著者 | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | 登録日 | 2017-10-25 | 公開日 | 2017-12-27 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
|
|
7QAR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qar by Molmil](/molmil-images/mine/7qar) | Serial crystallography structure of cofactor-free urate oxidase in complex with the 5-peroxo derivative of 9-methyl uric acid at room temperature | 分子名称: | (5S)-5-(dioxidanyl)-9-methyl-7H-purine-2,6,8-trione, Uricase | 著者 | Bui, S, Catapano, L, Zielinski, K, Yefanov, O, Murshudov, G.N, Oberthuer, D, Steiner, R.A. | 登録日 | 2021-11-17 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive. Iucrj, 9, 2022
|
|
7QA1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qa1 by Molmil](/molmil-images/mine/7qa1) | The structure of natural crystals of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated using serial femtosecond crystallography at an X-ray free electron laser | 分子名称: | Toxin-10 pesticidal protein (Tpp) 49Aa1 | 著者 | Williamson, L.J, Rizkallah, P.J, Berry, C, Oberthur, D, Galchenkova, M, Yefanov, O, Bean, R, Best, H.L. | 登録日 | 2021-11-15 | 公開日 | 2023-05-17 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated from natural crystals using MHz-SFX. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
6C1M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c1m by Molmil](/molmil-images/mine/6c1m) | NavAb NormoPP mutant | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-METHYLGUANIDINE, CHAPSO, ... | 著者 | Catterall, W.A, Zheng, N, Jiang, D, Gamal El-Din, T.M. | 登録日 | 2018-01-04 | 公開日 | 2018-05-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.518 Å) | 主引用文献 | Structural basis for gating pore current in periodic paralysis. Nature, 557, 2018
|
|
7PMZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pmz by Molmil](/molmil-images/mine/7pmz) | Crystal structure of Streptomyces coelicolor guaB (IMP dehydrogenase) bound to ATP and ppGpp at 2.0 A resolution | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5',3'-TETRAPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, ... | 著者 | Fernandez-Justel, D, Revuelta, J.L, Buey, R.M. | 登録日 | 2021-09-04 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Diversity of mechanisms to control bacterial GTP homeostasis by the mutually exclusive binding of adenine and guanine nucleotides to IMP dehydrogenase. Protein Sci., 31, 2022
|
|
7UFY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ufy by Molmil](/molmil-images/mine/7ufy) | Crystal structure of TDP1 complexed with compound XZ766 | 分子名称: | 1,2-ETHANEDIOL, Tyrosyl-DNA phosphodiesterase 1, [(4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)methyl]phosphonic acid | 著者 | Lountos, G.T, Zhao, X.Z, Wang, W, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | 登録日 | 2022-03-23 | 公開日 | 2023-04-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.584 Å) | 主引用文献 | Phosphonic acid-containing inhibitors of tyrosyl-DNA phosphodiesterase 1. Front Chem, 10, 2022
|
|
6BN7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bn7 by Molmil](/molmil-images/mine/6bn7) | Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET23 PROTAC. | 分子名称: | Bromodomain-containing protein 4, DNA damage-binding protein 1, Protein cereblon, ... | 著者 | Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S. | 登録日 | 2017-11-16 | 公開日 | 2018-05-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.501 Å) | 主引用文献 | Plasticity in binding confers selectivity in ligand-induced protein degradation. Nat. Chem. Biol., 14, 2018
|
|
6BKU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bku by Molmil](/molmil-images/mine/6bku) | Crystal Structure of the Human CAMKK2B bound to GSK650394 | 分子名称: | 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2, FORMIC ACID | 著者 | Counago, R.M, dos Reis, C.V, de Souza, G.P, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | 登録日 | 2017-11-09 | 公開日 | 2017-11-29 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of the Human CAMKK2B bound to GSK650394 To Be Published
|
|
6BQG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bqg by Molmil](/molmil-images/mine/6bqg) | Crystal structure of 5-HT2C in complex with ergotamine | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, Ergotamine | 著者 | Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z. | 登録日 | 2017-11-27 | 公開日 | 2018-02-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | 5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology. Cell, 172, 2018
|
|
3PNY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pny by Molmil](/molmil-images/mine/3pny) | |
6BPI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bpi by Molmil](/molmil-images/mine/6bpi) | Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates | 分子名称: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, MLY-SER-THR-E2G, ... | 著者 | MADER, P, Mendoza-Sanchez, R, DONG, A, DOBROVETSKY, E, IQBAL, A, CORLESS, V, TEMPEL, W, LIEW, S.K, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D.B, SCHAPIRA, M, VEDADI, M, BROWN, P.J, Santhakumar, V, FRYE, S, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | 登録日 | 2017-11-23 | 公開日 | 2017-12-27 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates to be published
|
|
7QQY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qqy by Molmil](/molmil-images/mine/7qqy) | |
6BRC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6brc by Molmil](/molmil-images/mine/6brc) | Crystal Structure of the Human CAMKK2B in complex with AP26113-analog (ALK-IN-1) | 分子名称: | 5-chloro-N~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-N~4~-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine, Calcium/calmodulin-dependent protein kinase kinase 2, SODIUM ION | 著者 | Counago, R.M, dos Reis, C.V, de Souza, G.P, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | 登録日 | 2017-11-30 | 公開日 | 2017-12-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal Structure of the Human CAMKK2B in complex with AP26113-analog (ALK-IN-1) To Be Published
|
|
7UMH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7umh by Molmil](/molmil-images/mine/7umh) | Energetic robustness to large scale structural dynamics in a photosynthetic supercomplex | 分子名称: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Harris, D, Toporik, H, Schlau-Cohen, G.S, Mazor, Y. | 登録日 | 2022-04-07 | 公開日 | 2023-05-17 | 最終更新日 | 2023-08-16 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Energetic robustness to large scale structural fluctuations in a photosynthetic supercomplex. Nat Commun, 14, 2023
|
|
5TVY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tvy by Molmil](/molmil-images/mine/5tvy) | Computationally Designed Fentanyl Binder - Fen49 | 分子名称: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Endo-1,4-beta-xylanase A | 著者 | Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, M.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D. | 登録日 | 2016-11-10 | 公開日 | 2017-10-04 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Computational design of environmental sensors for the potent opioid fentanyl. Elife, 6, 2017
|
|